adding basic mathemtaica setup

.gitattributes

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+* text=auto

.gitignore

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+.idea
+dist
+
+*.aux
+*.fdb_latexmk
+*.fls
+*.tdo
+*.toc
+*.log
+*.pdf
+*.jpg
+*.bbl
+*.bcf
+*.blg
+*.run.xml
+*.csv
+*.out
+
+*.nb

do.sh

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+#!/usr/bin/env sh
+# Do - The Simplest Build Tool on Earth.
+# Documentation and examples see https://github.com/8gears/do
+
+# shellcheck disable=SC2039
+set -Eeuo pipefail # -e "Automatic exit from bash shell script on error"  -u "Treat unset variables and parameters as errors"
+
+install() {
+	# shellcheck disable=SC2039
+	local install_loc
+	# shellcheck disable=SC2016
+	install_loc=$(wolframscript -c 'FileNameJoin[{StringReplace[$UserBaseDirectory, "\\" -> "/"], "Applications", "owenScalapinoFreeEnergy"}, OperatingSystem -> "Unix"]' | tr -d '\r\n')
+	echo "Installing to [$install_loc]"
+	mkdir -p "$install_loc"
+	echo $install_loc | hexdump
+	cp src/wl/owenScalapinoFreeEnergy.wl "$install_loc"
+}
+
+all() {
+   install
+}
+
+test() {
+   echo "I am ${FUNCNAME[0]}ing"
+   wolframscript -f src/wltest/RunTests.wls
+}
+
+"$@" # <- execute the task
+
+[ "$#" -gt 0 ] || printf "Usage:\n\t./do.sh %s\n" "($(compgen -A function | grep '^[^_]' | paste -sd '|' -))"

src/wl/owenScalapinoFreeEnergy.wl

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+BeginPackage["owenScalapinoFreeEnergy`"];
+(* Exported symbols added here with SymbolName::usage *)
+
+fs::usage = "thing";
+
+Begin["`Private`"];
+
+fs[x_] := x^2;
+
+End[]; (* `Private` *)
+
+EndPackage[];

src/wltest/BasicTest.wlt

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+BeginTestSection["BasicTest.wlt"];
+
+VerificationTest[(* 1 *)
+	fs[3]
+	,
+	9
+	, TestID -> "Basic test."
+];
+
+EndTestSection[];

src/wltest/RunTests.wls

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+(* Quick hacky driver script to get tests to run. *)
+
+(* Stolen from: https://mathematica.stackexchange.com/questions/206278/how-to-set-a-tolerance-level-for-equality-constraints *)
+approxTolerance = .001;
+approxEqual[a_, b_] := Chop[N@(Abs[a - b]/Min[a, b]), approxTolerance] == 0;
+
+PrependTo[$Path, FileNameJoin[{FileNameDrop[ExpandFileName[First[$ScriptCommandLine]],-2], "wl"}]];
+testDir = FileNameDrop[ExpandFileName[First[$ScriptCommandLine]],-1];
+testFiles = FileNames["*.wlt", testDir];
+(*testFiles = FileNames["Example.wlt", testDir];*)
+
+<< "owenScalapinoFreeEnergy`";
+
+reports = TestReport /@ testFiles;
+
+numTestsSucceeded = Total[#["TestsSucceededCount"] & /@ reports];
+numTestsFailed    = Total[#["TestsFailedCount"]& /@ reports];
+numTests          = numTestsSucceeded + numTestsFailed;
+
+failedTestText[test_] := ToString@test["TestID"] <> "\nOutcome: " <> ToString@test["Outcome"] <> "\n" <> Switch[test["Outcome"],
+	"Failure",
+		"\tExpected:\n\t\t" <> ToString[test["ExpectedOutput"], InputForm] <> "\n\tActual:\n\t\t" <> ToString[test["ActualOutput"], InputForm],
+	"MessagesFailure",
+		"\tExpected Messages:\n\t\t" <> TextString[test["ExpectedMessages"]] <> "\n\tActual\n\t\t" <> TextString[test["ActualMessages"]],
+	"Success",
+		"All good champ",
+	"Error",
+			ToString@test,
+	_,
+		"Can't report on this error type, for some reason."
+];
+failedReportText[report_] := StringTrim[report["Title"], "Test Report: "] <> " failures:\n---------------\n" <> StringRiffle[failedTestText /@ Select[Values[report["TestResults"]], #["Outcome"] != "Success" &], "\n"];
+
+If[0 < numTestsFailed,
+	failedReports = Select[reports, #["TestsFailedCount"] >0 &];
+	Print[StringRiffle[failedReportText /@ failedReports, {"************************\n\n", "\n\n", "\n\n************************"}]];
+	Print[""];
+];
+
+time = QuantityMagnitude[Total[(#["TimeElapsed"] & /@ reports)], "Seconds"];
+Print[ToString@StringForm["Tests took `` seconds.", time]];
+Print[ToString@StringForm["Succeeded: `` out of ``", numTestsSucceeded, numTests]];
+Print[ToString@StringForm["Failed: `` out of ``", numTestsFailed, numTests]];
+
+If[0 == numTestsFailed,
+	Print["\nPhew..."];
+];